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Substance Name: Alloxan
RN: 50-71-5
UNII: 6SW5YHA5NG
InChIKey: HIMXGTXNXJYFGB-UHFFFAOYSA-N

Note

  • Acidic compound formed by oxidation of URIC ACID. It is isolated as an efflorescent crystalline hydrate.

Molecular Formula

  • C4-H2-N2-O4

Molecular Weight

  • 142.0698
 

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative
  • Mutation Data
  • Reproductive Effect
  • Skin / Eye Irritant
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Names and Synonyms

Name of Substance

  • Alloxan

MeSH Heading

  • Alloxan

Synonyms

  • 2,4,5,6(1H,3H)-Pyrimidinetetrone
  • 2,4,5,6-Pyrimidintetron
  • 2,4,5,6-Pyrimidintetron [Czech]
  • 2,4,5,6-Tetraoxohexahydropyrimidine
  • AI3-15282
  • Alloxan
  • Alloxan 7169
  • Alloxane
  • Barbituric acid, 5-oxo-
  • CCRIS 9509
  • EINECS 200-062-0
  • HSDB 7493
  • Mesoxalylcarbamide
  • Mesoxalylurea
  • NSC 7169
  • UNII-6SW5YHA5NG
  • Urea, mesoxalyl-

Systematic Names

  • 2,4,5,6(1H,3H)-Pyrimidinetetrone
  • Alloxan

Registry Numbers

CAS Registry Number

  • 50-71-5

FDA UNII

  • 6SW5YHA5NG

System Generated Number

  • 0000050715

Structure Descriptors

InChI

1S/C4H2N2O4/c7-1-2(8)5-4(10)6-3(1)9/h(H2,5,6,8,9,10)

InChIKey

HIMXGTXNXJYFGB-UHFFFAOYSA-N

Smiles

C1(=O)C(=O)NC(=O)NC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
domestic animals - goat/sheep LDLo intravenous 200mg/kg (200mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 6, 1959.
duck LDLo intravenous 250mg/kg (250mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 6, 1959.
mouse LDLo intraperitoneal 300mg/kg (300mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 67, Pg. 154, 1948.
mouse LDLo intravenous 200mg/kg (200mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 67, Pg. 154, 1948.
mouse LDLo subcutaneous 400mg/kg (400mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 67, Pg. 154, 1948.
pigeon LDLo intravenous 150mg/kg (150mg/kg) ENDOCRINE: HYPERGLYCEMIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Proceedings of the Society for Experimental Biology and Medicine. Vol. 58, Pg. 31, 1945.
rabbit LDLo intravenous 300mg/kg (300mg/kg)   American Journal of Clinical Pathology. Vol. 16, Pg. 257, 1946.
rabbit LDLo rectal 180mg/kg (180mg/kg) KIDNEY, URETER, AND BLADDER: PROTEINURIS

ENDOCRINE: DIABETES MELLITIS

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF ENDOCRINE PANCREAS
American Journal of Clinical Pathology. Vol. 16, Pg. 257, 1946.
rat LD50 intraperitoneal 181mg/kg (181mg/kg)   Annales Pharmaceutiques Francaises. Vol. 15, Pg. 518, 1957.
rat LD50 intravenous 300mg/kg (300mg/kg)   Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 142, Pg. 1335, 1948.
rat LD50 oral 5210mg/kg (5210mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 862, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 256 dec deg C   EXP
pKa Dissociation Constant 6.63 (none) 25 EXP
log P (octanol-water) -1.84E+00 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 2.14E-10 mm Hg 25 EST
Henry's Law Constant 2.74E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.00E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.